N'-hydroxy-4-(1,1,1-trifluoro-2-methoxypropan-2-yl)benzenecarboximidamide

C11H13F3N2O2 — CID 87371662

IUPACN'-hydroxy-4-(1,1,1-trifluoro-2-methoxypropan-2-yl)benzenecarboximidamide
SMILESCOC(C)(c1ccc(/C(N)=N/O)cc1)C(F)(F)F
InChIInChI=1S/C11H13F3N2O2/c1-10(18-2,11(12,13)14)8-5-3-7(4-6-8)9(15)16-17/h3-6,17H,1-2H3,(H2,15,16)
InChIKeyOGBDDTDUEKKKQK-UHFFFAOYSA-N
MW262.23 g/mol
LogP2.20
Rot. Bonds3

About N'-hydroxy-4-(1,1,1-trifluoro-2-methoxypropan-2-yl)benzenecarboximidamide

N'-hydroxy-4-(1,1,1-trifluoro-2-methoxypropan-2-yl)benzenecarboximidamide (PubChem CID 87371662) has the molecular formula C11H13F3N2O2 and a molecular weight of 262.23 g/mol. Its IUPAC name is N'-hydroxy-4-(1,1,1-trifluoro-2-methoxypropan-2-yl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-(1,1,1-trifluoro-2-methoxypropan-2-yl)benzenecarboximidamide
PubChem CID87371662
Molecular FormulaC11H13F3N2O2
Molecular Weight262.23 g/mol
Exact Mass262.09
IUPAC NameN'-hydroxy-4-(1,1,1-trifluoro-2-methoxypropan-2-yl)benzenecarboximidamide
SMILESCOC(C)(c1ccc(/C(N)=N/O)cc1)C(F)(F)F
InChIInChI=1S/C11H13F3N2O2/c1-10(18-2,11(12,13)14)8-5-3-7(4-6-8)9(15)16-17/h3-6,17H,1-2H3,(H2,15,16)
InChIKeyOGBDDTDUEKKKQK-UHFFFAOYSA-N
XLogP2.20
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-(1,1,1-trifluoro-2-methoxypropan-2-yl)benzenecarboximidamide?
The IUPAC name of N'-hydroxy-4-(1,1,1-trifluoro-2-methoxypropan-2-yl)benzenecarboximidamide (CID 87371662) is N'-hydroxy-4-(1,1,1-trifluoro-2-methoxypropan-2-yl)benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-4-(1,1,1-trifluoro-2-methoxypropan-2-yl)benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-4-(1,1,1-trifluoro-2-methoxypropan-2-yl)benzenecarboximidamide is COC(C)(c1ccc(/C(N)=N/O)cc1)C(F)(F)F.
What is the InChIKey of N'-hydroxy-4-(1,1,1-trifluoro-2-methoxypropan-2-yl)benzenecarboximidamide?
The InChIKey is OGBDDTDUEKKKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O2/c1-10(18-2,11(12,13)14)8-5-3-7(4-6-8)9(15)16-17/h3-6,17H,1-2H3,(H2,15,16).
What are the key properties of N'-hydroxy-4-(1,1,1-trifluoro-2-methoxypropan-2-yl)benzenecarboximidamide?
N'-hydroxy-4-(1,1,1-trifluoro-2-methoxypropan-2-yl)benzenecarboximidamide has a molecular weight of 262.23 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-(1,1,1-trifluoro-2-methoxypropan-2-yl)benzenecarboximidamide is sourced from PubChem (CID 87371662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).